. Author manuscript; available in PMC: 2024 Oct 9.

Published in final edited form as: NMR Biomed. 2019 Oct 14;32(12):e4176. doi: 10.1002/nbm.4176

TABLE 1.

Simulation results on potential contributions to in vivo human brain creatine-weighted chemical exchange saturation transfer contrast at 7 T

Metabolites	T₁ (s)	T₂ (s)	ω (ppm)	Concentration (M)	Exchange rate (Hz)
Free water^a	2	0.115	0.0	81	-
Bound water^b	1	0.00001	−2.4	7	10
Amide^c	1	0.033	3.5	0.072	30
Creatine^d	1	0.010	1.8	0.010	500, 900, 1190
Glutamate^e	1	0.010	3.0	0.011	2000
Myo-inositol^f	1	0.010	0.6	0.006	600

For simulation, T₁ and T₂ for free water were taken from reference.⁴

For simulation, the bound water parameters were used from reference ⁵¹. This reflects MTR asymmetry contribution.

For simulation, all parameters were taken from reference.³

For simulation, the concentrations were taken from references ^47,48, and exchange rates of 500, 900 and 1190 Hz were taken from references,^4,19 and,²⁵ respectively. Four amine protons were considered for each creatine molecule.

For simulation, the concentrations were taken from references ^52,53, and exchange rate measured in vivo from rat brain.⁴ Three amine protons were considered for each glutamate molecule.

For simulation, the concentration and exchange rate were taken from reference³⁰ and relaxation parameters for -OH were assumed to be the same as creatine. Six -OH protons were considered for each myo-inositol molecule.